zavegepant (CHEBI:229643)

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CHEBI:229643 - zavegepant

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ChEBI ID	CHEBI:229643
ChEBI Name	zavegepant
Stars
Definition	A member of the class of ureas that is urea in which both amino groups are replaced by 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidin-1-yl and {(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl}amino groups. It is a calcitonin gene-related peptide receptor antagonist whose hydrochloride salt has been approved by the FDA for the acute treatment of migraine.
Last Modified	16 April 2024
Submitter	Adnan
Downloads	Molfile

Formula	C36H46N8O3
Net Charge	0
Average Mass	638.817
Monoisotopic Mass	638.36929
SMILES	Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4nc3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc2cnnc12
InChI	InChI=1S/C36H46N8O3/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47)/t32-/m1/s1
InChIKey	JJVAPHYEOZSKJZ-JGCGQSQUSA-N

Wikipedia

Roles Classification

Biological Role:

calcitonin gene-related peptide receptor antagonist An antagonist at any calcitonin gene-related peptide receptor.

ChEBI Ontology

Outgoing Relation(s)
	zavegepant (CHEBI:229643) has role calcitonin gene-related peptide receptor antagonist (CHEBI:196956)
	zavegepant (CHEBI:229643) is a N-acylpiperazine (CHEBI:46844)
	zavegepant (CHEBI:229643) is a indazoles (CHEBI:38769)
	zavegepant (CHEBI:229643) is a piperidinecarboxamide (CHEBI:48592)
	zavegepant (CHEBI:229643) is a piperidines (CHEBI:26151)
	zavegepant (CHEBI:229643) is a quinolone (CHEBI:23765)
	zavegepant (CHEBI:229643) is a ureas (CHEBI:47857)
	zavegepant (CHEBI:229643) is conjugate base of zavegepant(1+) (CHEBI:229645)
Incoming Relation(s)
Incoming Relation(s)	zavegepant(1+) (CHEBI:229645) is conjugate acid of zavegepant (CHEBI:229643)

IUPAC Name
N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl}-4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxamide

INNs	Source
zavégépant	WHO MedNet
zavegepant	WHO MedNet
zavegepantum	WHO MedNet
zavegepant	WHO MedNet

Synonyms	Source
BHV-3500	DrugBank
BMS-742413	DrugBank
BMS-742413-01	DrugBank
BMS 742413	ChEBI
BHV3500	ChEBI
BHV 3500	ChEBI

Manual Xrefs	Databases
Zavegepant	Wikipedia
DB15688	DrugBank
D11898	KEGG DRUG
US2012059017	Patent

Registry Numbers	Sources
CAS:1337918-83-8	DrugBank

Citations